N-(2-methoxyethyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide

C13H26N4O2 — CID 66196942

IUPACN-(2-methoxyethyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide
SMILESCOCCNC(=O)C(C)N1CC(N2CCNCC2)C1
InChIInChI=1S/C13H26N4O2/c1-11(13(18)15-5-8-19-2)17-9-12(10-17)16-6-3-14-4-7-16/h11-12,14H,3-10H2,1-2H3,(H,15,18)
InChIKeyJTQSWVKCCVSCPP-UHFFFAOYSA-N
MW270.38 g/mol
LogP-1.27
Rot. Bonds6

About N-(2-methoxyethyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide

N-(2-methoxyethyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide (PubChem CID 66196942) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide
PubChem CID66196942
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC NameN-(2-methoxyethyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide
SMILESCOCCNC(=O)C(C)N1CC(N2CCNCC2)C1
InChIInChI=1S/C13H26N4O2/c1-11(13(18)15-5-8-19-2)17-9-12(10-17)16-6-3-14-4-7-16/h11-12,14H,3-10H2,1-2H3,(H,15,18)
InChIKeyJTQSWVKCCVSCPP-UHFFFAOYSA-N
XLogP-1.27
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(ethylcarbamoyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide
CID 66196768
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 115302045
(3S,4S)-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-4-methylpyrrolidine-3-carboxylic acid
CID 114086295
1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 55150446
1-morpholin-4-yl-2-(3-piperazin-1-ylazetidin-1-yl)propan-1-one
CID 66197711
2-[1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]piperidin-4-yl]oxyacetic acid
CID 63902809
N-(2-methoxyethyl)-2-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
CID 63848663
2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide
CID 55201383
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 63760320
2-[3-ethyl-4-(propylamino)piperidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 114507664
1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709098
2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(2-methoxyethyl)propanamide
CID 66209506

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide?
The IUPAC name of N-(2-methoxyethyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide (CID 66196942) is N-(2-methoxyethyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide is COCCNC(=O)C(C)N1CC(N2CCNCC2)C1.
What is the InChIKey of N-(2-methoxyethyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide?
The InChIKey is JTQSWVKCCVSCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-11(13(18)15-5-8-19-2)17-9-12(10-17)16-6-3-14-4-7-16/h11-12,14H,3-10H2,1-2H3,(H,15,18).
What are the key properties of N-(2-methoxyethyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide?
N-(2-methoxyethyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide has a molecular weight of 270.38 g/mol, XLogP of -1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(3-piperazin-1-ylazetidin-1-yl)propanamide is sourced from PubChem (CID 66196942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).